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Q1I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02doub1.38Å1.39ÅAromatic
C02N03sing1.32Å1.37ÅAromatic
N03C04doub1.32Å1.38ÅAromatic
C04C05sing1.40Å1.39ÅAromatic
C01C06sing1.40Å1.40ÅAromatic
C05C06doub1.41Å1.39ÅAromatic
C06C07sing1.48Å1.40Å
C05C08sing1.48Å1.49Å
C04N09sing1.39Å1.44Å
C02C10sing1.51Å1.52Å
C07C11doub1.39Å1.41ÅAromatic
C11C12sing1.38Å1.40ÅAromatic
C12C13doub1.38Å1.41ÅAromatic
C13C14sing1.38Å1.40ÅAromatic
C07C15sing1.39Å1.40ÅAromatic
C14C15doub1.38Å1.40ÅAromatic
C10C16sing1.54Å1.47Å
C16C17sing1.54Å1.51Å
C17C18sing1.55Å1.51Å
C10C19sing1.54Å1.49Å
C18C19sing1.55Å1.49Å
N09C20sing1.47Å1.45Å
C20C21sing1.53Å1.52Å
N09C22sing1.47Å1.43Å
C08N23doub1.32Å1.34ÅAromatic
N23N24sing1.28Å1.36ÅAromatic
N24N25doub1.29Å1.36ÅAromatic
C08N26sing1.36Å1.36ÅAromatic
N25N26sing1.41Å1.35ÅAromatic
C20C27sing1.53Å1.51Å
C01C28sing1.51Å1.50Å
C10H29sing1.09Å1.10Å
C11H30sing1.08Å1.08Å
C13H32sing1.08Å1.08Å
C15H34sing1.08Å1.08Å
C16H35sing1.09Å1.10Å
C16H36sing1.09Å1.10Å
C17H37sing1.09Å1.10Å
C17H38sing1.09Å1.10Å
C18H39sing1.09Å1.10Å
C18H40sing1.09Å1.10Å
C19H42sing1.09Å1.10Å
C19H41sing1.09Å1.10Å
C20H43sing1.09Å1.10Å
C21H45sing1.09Å1.10Å
C21H44sing1.09Å1.10Å
C21H46sing1.09Å1.10Å
C22H48sing1.09Å1.10Å
C22H49sing1.09Å1.10Å
C22H47sing1.09Å1.10Å
C27H53sing1.09Å1.10Å
C27H52sing1.09Å1.10Å
C27H51sing1.09Å1.10Å
C28H56sing1.09Å1.10Å
C28H55sing1.09Å1.10Å
C28H54sing1.09Å1.10Å
C12H31sing1.08Å1.08Å
C14H33sing1.08Å1.08Å
N26H50sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C02N03123.1°121.3°
C02C01C06118.3°119.3°
C01C02C10121.4°119.4°
C02C01C28119.9°120.4°
C02N03C04118.0°122.0°
N03C02C10115.5°119.3°
N03C04C05120.9°120.5°
N03C04N09119.9°119.7°
C04C05C06120.8°118.7°
C04C05C08117.6°120.7°
C05C04N09119.1°119.8°
C01C06C05118.9°118.1°
C01C06C07122.2°120.9°
C06C01C28121.8°120.3°
C05C06C07118.9°120.9°
C06C05C08121.5°120.6°
C06C07C11122.0°120.1°
C06C07C15118.0°120.1°
C05C08N23128.9°126.6°
C05C08N26119.1°126.6°
C04N09C20120.0°111.0°
C04N09C22115.6°111.0°
C02C10C16110.8°110.1°
C02C10C19113.9°110.0°
C02C10H29108.0°110.0°
C07C11C12120.5°119.9°
C11C07C15120.0°119.8°
C07C11H30119.7°120.1°
C11C12C13119.2°120.1°
C12C11H30119.7°120.1°
C11C12H31120.4°120.0°
C12C13C14120.2°120.3°
C12C13H32119.9°119.9°
C13C12H31120.4°119.9°
C13C14C15120.3°120.1°
C14C13H32119.9°119.8°
C13C14H33119.9°120.0°
C07C15C14119.8°119.8°
C07C15H34120.1°120.1°
C14C15H34120.1°120.1°
C15C14H33119.8°119.9°
C10C16C17103.9°106.6°
C16C10C19106.7°106.6°
C16C10H29108.7°110.0°
C10C16H35110.9°110.1°
C10C16H36110.8°110.0°
C16C17C18104.5°104.2°
C17C16H35110.9°110.0°
C17C16H36110.9°110.0°
C16C17H37110.7°110.5°
C16C17H38110.7°110.5°
C17C18C19106.0°102.7°
C18C17H37110.7°110.5°
C18C17H38110.7°110.5°
C17C18H39110.4°110.7°
C17C18H40110.3°110.8°
C10C19C18107.3°104.2°
C19C10H29108.5°110.0°
C10C19H42110.0°110.5°
C10C19H41110.0°110.5°
C19C18H39110.3°110.8°
C19C18H40110.4°110.8°
C18C19H42110.0°110.5°
C18C19H41110.0°110.5°
N09C20C21108.6°109.5°
C20N09C22113.2°111.0°
N09C20C27115.6°109.5°
N09C20H43106.4°109.5°
C21C20C27114.2°109.5°
C21C20H43105.6°109.4°
C20C21H45109.5°109.4°
C20C21H44109.4°109.5°
C20C21H46109.5°109.5°
N09C22H48109.5°109.5°
N09C22H49109.5°109.4°
N09C22H47109.5°109.5°
C08N23N24107.1°110.6°
N23C08N26112.1°106.9°
N23N24N25105.3°110.5°
N24N25N26112.5°106.9°
C08N26N25103.0°105.1°
C08N26H50128.5°127.4°
N25N26H50128.5°127.5°
C27C20H43105.7°109.4°
C20C27H53109.5°109.5°
C20C27H52109.4°109.5°
C20C27H51109.5°109.5°
C01C28H56109.5°109.5°
C01C28H55109.5°109.5°
C01C28H54109.5°109.4°
H35C16H36109.4°110.1°
H37C17H38109.5°110.5°
H39C18H40109.5°110.8°
H42C19H41109.5°110.5°
H45C21H44109.5°109.4°
H45C21H46109.4°109.5°
H44C21H46109.5°109.5°
H48C22H49109.5°109.5°
H48C22H47109.5°109.5°
H49C22H47109.5°109.5°
H53C27H52109.5°109.5°
H53C27H51109.4°109.4°
H52C27H51109.5°109.4°
H56C28H55109.5°109.5°
H56C28H54109.5°109.4°
H55C28H54109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C02N03C10178.3°180.0°
C01C02N03C040.6°0.0°
C02C01C06C28179.7°179.8°
C02C01C06C050.4°0.1°
C02C01C06C07179.7°180.0°
C01C02C10C1692.8°124.6°
C01C02C10C19146.8°118.3°
C01C02C10H2926.2°3.1°
C02C01C28H5690.1°83.9°
C02C01C28H55149.9°156.1°
C02C01C28H5429.9°36.1°
C02N03C04C050.5°0.0°
N03C02C01C060.6°0.0°
C02N03C04N09179.3°180.0°
N03C02C10C1688.8°55.5°
N03C02C10C1931.5°61.7°
N03C02C01C28179.2°179.8°
N03C02C10H29152.1°176.9°
N03C04C05N09179.7°180.0°
N03C04C05C060.4°0.1°
N03C04C05C08177.7°180.0°
C04N03C02C10177.7°180.0°
N03C04N09C2023.6°55.1°
N03C04N09C22117.7°68.8°
C04C05C06C010.3°0.1°
C04C05C06C08177.3°179.9°
C04C05C06C07179.8°180.0°
C05C04N09C20156.1°124.9°
C05C04N09C2262.6°111.2°
C04C05C08N23100.1°173.4°
C04C05C08N2680.0°6.9°
C01C06C05C07179.9°179.9°
C01C06C05C08177.6°180.0°
C06C01C02C10177.7°180.0°
C01C06C07C1193.3°115.0°
C01C06C07C1585.8°65.2°
C06C01C28H5690.1°96.4°
C06C01C28H5529.8°23.7°
C06C01C28H54149.8°143.7°
C06C05C04N09179.4°179.9°
C05C06C07C1186.6°65.1°
C05C06C07C1594.3°114.7°
C06C05C08N2382.5°6.7°
C06C05C08N2697.4°173.0°
C05C06C01C28179.3°179.7°
C07C06C05C082.5°0.1°
C06C07C11C15179.1°179.8°
C06C07C11C12178.8°180.0°
C06C07C15C14179.9°180.0°
C07C06C01C280.6°0.2°
C06C07C11H301.2°0.0°
C06C07C15H340.1°0.0°
C08C05C04N092.0°0.0°
C05C08N23N26179.9°179.8°
C05C08N23N24178.6°180.0°
C05C08N26N25179.7°179.8°
C05C08N26H500.3°0.1°
C04N09C20C22142.2°124.0°
C04N09C20C2166.4°174.4°
C04N09C20C2763.4°54.3°
C04N09C20H43179.7°65.6°
C04N09C22H48180.0°64.1°
C04N09C22H4960.0°175.8°
C04N09C22H4760.0°55.9°
C02C10C16C19124.5°119.3°
C02C10C16H29118.6°121.4°
C02C10C16C1793.2°119.3°
C02C10C19H29120.4°121.4°
C02C10C19C18106.1°142.9°
C10C02C01C282.6°0.3°
C02C10C16H35147.7°121.4°
C02C10C16H3625.9°0.0°
C02C10C19H4213.6°24.2°
C02C10C19H41134.3°98.4°
C07C11C12H30180.0°180.0°
C07C11C12C132.5°0.0°
C11C07C15C141.0°0.2°
C11C07C15H34179.0°179.8°
C07C11C12H31177.5°180.0°
C11C12C13H31180.0°180.0°
C11C12C13C141.7°0.3°
C12C11C07C152.1°0.2°
C11C12C13H32178.3°179.9°
C12C13C14H32180.0°179.8°
C12C13C14C150.6°0.3°
C13C12C11H30177.5°179.9°
C12C13C14H33179.4°180.0°
C13C14C15C070.2°0.0°
C13C14C15H33180.0°179.7°
C13C14C15H34179.8°180.0°
C14C13C12H31178.3°179.7°
C07C15C14H34180.0°180.0°
C15C07C11H30177.9°179.8°
C07C15C14H33179.8°179.7°
C15C14C13H32179.4°179.9°
C10C16C17H35119.1°119.3°
C10C16C17H36119.1°119.2°
C10C16C17C1834.1°23.6°
C16C10C19H29117.0°119.3°
C16C10C19C1816.6°23.6°
C10C16H35H36122.6°121.4°
C10C16C17H37153.3°142.3°
C10C16C17H3885.1°95.1°
C16C10C19H42136.2°95.1°
C16C10C19H41103.1°142.3°
C16C17C18H37119.2°118.7°
C16C17C18H38119.2°118.7°
C17C16C10C1931.3°0.0°
C16C17C18C1924.1°37.9°
C17C16C10H29148.2°119.3°
C17C16H35H36122.6°121.4°
C16C17H37H38122.3°122.6°
C16C17C18H3995.4°80.4°
C16C17C18H40143.5°156.3°
C17C18C19C105.1°37.9°
C17C18C19H39119.5°118.3°
C17C18C19H40119.4°118.3°
C18C17C16H3585.0°95.7°
C18C17C16H36153.2°142.9°
C18C17H37H38122.3°122.6°
C17C18H39H40121.6°123.3°
C17C18C19H42114.5°80.8°
C17C18C19H41124.7°156.6°
C10C19C18H42119.6°118.7°
C10C19C18H41119.6°118.7°
C19C10C16H3587.8°119.3°
C19C10C16H36150.5°119.3°
C10C19C18H39114.4°80.4°
C10C19C18H40124.5°156.2°
C10C19H42H41121.0°122.6°
C18C19C10H29133.6°95.7°
C19C18C17H37143.3°156.6°
C19C18C17H3895.1°80.8°
C19C18H39H40121.6°123.4°
C18C19H42H41121.0°122.6°
N09C20C21C27130.6°120.0°
N09C20C21H43113.8°120.0°
N09C20C27H43117.4°120.0°
N09C20C21H45180.0°60.1°
N09C20C21H4460.0°180.0°
N09C20C21H4660.0°60.0°
C20N09C22H4836.1°171.9°
C20N09C22H4983.9°51.9°
C20N09C22H47156.1°68.1°
N09C20C27H53180.0°54.9°
N09C20C27H5260.0°65.2°
N09C20C27H5160.0°174.8°
C21C20N09C22151.4°61.6°
C21C20C27H43115.6°120.0°
C20C21H45H44120.0°119.9°
C20C21H45H46120.0°120.1°
C20C21H44H46120.0°120.1°
C21C20C27H5353.0°65.1°
C21C20C27H5267.0°174.8°
C21C20C27H51173.0°54.8°
C22N09C20C2778.8°178.3°
C22N09C20H4338.2°58.3°
N09C22H48H49120.0°120.0°
N09C22H48H47120.0°120.0°
N09C22H49H47120.0°120.0°
C08N23N24N252.0°0.1°
N23C08N26N250.4°0.4°
N23C08N26H50179.6°179.7°
N24N23C08N261.5°0.2°
N23N24N25N261.8°0.3°
N24N25N26C080.9°0.4°
N24N25N26H50179.1°179.7°
C08N26N25H50180.0°179.9°
C27C20C21H4549.4°60.0°
C27C20C21H44169.4°60.0°
C27C20C21H4670.6°180.0°
C20C27H53H52120.0°120.1°
C20C27H53H51120.0°120.0°
C20C27H52H51120.0°120.0°
C01C28H56H55120.0°120.1°
C01C28H56H54120.0°119.9°
C01C28H55H54120.0°120.0°
H29C10C16H3529.1°0.0°
H29C10C16H3692.7°121.5°
H29C10C19H42106.8°145.6°
H29C10C19H4113.9°23.0°
H30C11C12H312.5°0.0°
H32C13C12H311.7°0.1°
H32C13C14H330.6°0.3°
H34C15C14H330.2°0.3°
H35C16C17H3734.2°23.0°
H35C16C17H38155.8°145.6°
H36C16C17H3787.6°98.4°
H36C16C17H3834.0°24.2°
H37C17C18H3923.8°38.3°
H37C17C18H4097.3°85.0°
H38C17C18H39145.5°160.9°
H38C17C18H4024.4°37.6°
H39C18C19H42126.0°160.9°
H39C18C19H415.3°38.3°
H40C18C19H424.9°37.5°
H40C18C19H41115.8°85.1°
H43C20C21H4566.2°179.9°
H43C20C21H4453.8°60.0°
H43C20C21H46173.8°60.0°
H43C20C27H5362.6°174.9°
H43C20C27H52177.3°54.8°
H43C20C27H5157.3°65.2°
H45C21H44H46120.0°120.0°
H48C22H49H47120.0°120.0°
H53C27H52H51120.0°119.9°
H56C28H55H54120.0°120.0°

227344

PDB entries from 2024-11-13

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